Product Name

  • Name

    1-METHYL-5-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)-1H-INDOLE

  • EINECS 1592732-453-0
  • CAS No. 837392-62-8
  • Article Data24
  • CAS DataBase
  • Density 1.055 g/cm3
  • Solubility
  • Melting Point 110-114 °C(lit.)
  • Formula C15H20BNO2
  • Boiling Point 391.324 °C at 760 mmHg
  • Molecular Weight 257.14
  • Flash Point 190.466 °C
  • Transport Information
  • Appearance
  • Safety 22-24/25
  • Risk Codes
  • Molecular Structure Molecular Structure of 837392-62-8 (1-METHYL-5-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)-1H-INDOLE)
  • Hazard Symbols IrritantXi
  • Synonyms 1-Methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indole;4,4,5,5-Tetramethyl-2-(1-methyl-1H-indol-5-yl)-1,3,2-dioxaborolane;
  • PSA 23.39000
  • LogP 2.47750

1-Methylindole-5-boronic acid pinacol ester Specification

The 1-Methylindole-5-boronic acid pinacol ester, with CAS registry number 837392-62-8, has the systematic name of 1-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole. And its IUPAC name is the same one. And the chemical formula of this chemical is C15H20BNO2. When use this chemical, please do not breathe dust and avoid contact with skin and eyes.

Physical properties of 1-Methylindole-5-boronic acid pinacol ester: (1)#H bond acceptors: 3; (2)#H bond donors: 0; (3)#Freely Rotating Bonds: 1; (4)Polar Surface Area: 23.39 Å2; (5)Index of Refraction: 1.534; (6)Molar Refractivity: 75.735 cm3; (7)Molar Volume: 243.69 cm3; (8)Polarizability: 30.024×10-24cm3; (9)Surface Tension: 33.473 dyne/cm; (10)Enthalpy of Vaporization: 61.588 kJ/mol; (11)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: CC1(C)OB(OC1(C)C)c2cc3ccn(C)c3cc2
(2)InChI: InChI=1/C15H20BNO2/c1-14(2)15(3,4)19-16(18-14)12-6-7-13-11(10-12)8-9-17(13)5/h6-10H,1-5H3
(3)InChIKey: JQLYKUPEQYNDFF-UHFFFAOYAU
(4)Std. InChI: InChI=1S/C15H20BNO2/c1-14(2)15(3,4)19-16(18-14)12-6-7-13-11(10-12)8-9-17(13)5/h6-10H,1-5H3
(5)Std. InChIKey: JQLYKUPEQYNDFF-UHFFFAOYSA-N

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